#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b86 s HIS 545 N 0.00 2.58 -0.06 1.45 0.00 -1.26 -4.91 115.29 113.10 1b86 s HIS 545 Ca 0.00 -0.79 0.05 0.00 -3.00 0.00 0.00 55.06 51.32 1b86 s HIS 545 Cb 0.00 -4.61 -0.02 0.00 -4.00 0.00 0.00 32.58 23.95 1b86 s HIS 545 CO 0.00 -1.88 -0.21 -1.17 -1.00 0.00 0.00 174.74 170.48 1b86 s LEU 546 N 4.72 2.30 0.85 5.38 0.20 -1.26 -5.08 118.68 125.78 1b86 s LEU 546 Ca 0.41 -0.42 -0.11 0.00 0.69 0.00 0.00 54.13 54.71 1b86 s LEU 546 Cb -0.03 -1.44 0.10 0.00 -0.43 0.00 0.00 46.19 44.39 1b86 s LEU 546 CO -0.05 0.26 1.09 -0.89 -0.29 0.00 0.00 176.35 176.47 1b86 s THR 547 N -0.26 2.92 0.05 3.68 2.01 -1.26 -4.83 115.64 117.94 1b86 s THR 547 Ca -0.00 0.30 0.11 0.00 0.31 0.00 0.00 61.69 62.41 1b86 s THR 547 Cb -0.13 -2.78 -0.06 0.00 0.01 0.00 0.00 72.50 69.53 1b86 s THR 547 CO 0.03 -0.39 1.42 -0.65 -0.69 0.00 0.00 174.62 174.34 1b86 h PRO 548 N -1.38 0.00 -0.31 4.92 0.11 -1.99 0.82 132.00 134.17 1b86 h PRO 548 Ca -0.47 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1b86 h PRO 548 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1b86 h PRO 548 CO 0.53 0.73 0.17 1.49 -0.21 0.00 0.00 178.00 180.71 1b86 h GLU 549 N 0.00 0.42 0.42 1.05 4.57 -1.98 1.76 114.58 120.83 1b86 h GLU 549 Ca -0.01 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.11 1b86 h GLU 549 Cb 1.47 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.98 1b86 h GLU 549 CO 0.09 0.35 -0.20 0.93 -1.18 0.00 0.00 179.01 179.00 1b86 h GLU 550 N 0.38 -0.55 -0.60 1.92 5.08 -1.87 -1.63 114.58 117.32 1b86 h GLU 550 Ca 0.11 0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1b86 h GLU 550 Cb 0.04 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1b86 h GLU 550 CO -0.02 -0.27 0.16 0.87 -1.00 0.00 0.00 179.01 178.74 1b86 h LYS 551 N -0.76 0.92 0.00 2.33 1.57 0.11 -1.04 116.57 119.70 1b86 h LYS 551 Ca -0.06 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1b86 h LYS 551 Cb 0.53 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1b86 h LYS 551 CO 0.10 0.81 0.00 0.66 -0.57 0.00 0.00 179.45 180.45 1b86 h SER 552 N 0.88 0.00 0.79 0.86 4.64 0.27 -1.74 113.55 119.26 1b86 h SER 552 Ca 0.19 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.27 1b86 h SER 552 Cb 0.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1b86 h SER 552 CO -0.00 0.00 -1.15 0.00 -0.87 0.00 0.00 176.83 174.80 1b86 h ALA 553 N 2.07 0.24 0.03 5.18 0.00 -0.18 -2.67 119.26 123.93 1b86 h ALA 553 Ca 0.00 -0.92 -0.00 0.00 0.00 0.00 0.00 54.91 53.98 1b86 h ALA 553 Cb 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1b86 h ALA 553 CO 0.00 1.13 -0.01 0.28 0.00 0.00 0.00 179.25 180.65 1b86 h VAL 554 N 0.04 1.40 -0.47 0.00 2.07 -1.23 -3.16 116.25 114.90 1b86 h VAL 554 Ca -0.08 -1.67 -0.02 0.00 0.82 0.00 0.00 66.70 65.74 1b86 h VAL 554 Cb 1.88 2.47 -0.02 0.00 -1.52 0.00 0.00 31.29 34.10 1b86 h VAL 554 CO 0.16 0.41 0.20 0.74 0.02 0.00 0.00 177.57 179.10 1b86 h THR 555 N -0.81 1.20 0.00 2.57 2.02 -1.45 -2.19 112.91 114.26 1b86 h THR 555 Ca -0.00 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.58 1b86 h THR 555 Cb 0.70 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1b86 h THR 555 CO 0.01 0.23 0.00 0.00 0.37 0.00 0.00 175.52 176.12 1b86 h ALA 556 N 1.05 1.00 0.07 6.16 0.00 -1.60 -2.82 119.26 123.13 1b86 h ALA 556 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.70 1b86 h ALA 556 Cb 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1b86 h ALA 556 CO -0.02 0.00 -2.18 -0.11 0.00 0.00 0.00 179.25 176.94 1b86 n LEU 557 N -2.31 2.66 -0.34 0.00 7.94 -1.02 -4.28 117.00 119.65 1b86 n LEU 557 Ca 0.02 0.08 0.08 0.00 -1.11 0.00 0.00 56.01 55.08 1b86 n LEU 557 Cb 0.25 -0.97 0.24 0.00 0.53 0.00 0.00 43.42 43.47 1b86 n LEU 557 CO 0.21 0.87 1.20 -0.25 -1.11 0.00 0.00 177.39 178.30 1b86 h TRP 558 N 0.04 1.05 -0.93 1.96 2.91 -1.35 -1.64 115.95 118.00 1b86 h TRP 558 Ca -0.48 0.03 0.22 0.00 1.13 0.00 0.00 58.89 59.79 1b86 h TRP 558 Cb 1.99 -0.32 -0.07 0.00 -0.51 0.00 0.00 29.16 30.24 1b86 h TRP 558 CO 0.06 0.37 0.62 0.78 -1.03 0.00 0.00 178.44 179.23 1b86 h GLY 559 N 0.88 0.90 -1.25 2.65 0.00 -1.68 0.24 103.07 104.81 1b86 h GLY 559 Ca 0.50 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1b86 h GLY 559 CO -0.30 -0.02 0.00 0.28 0.00 0.00 0.00 176.54 176.50 1b86 n LYS 560 N -4.52 1.84 -3.02 4.80 5.02 -0.62 -4.92 118.16 116.75 1b86 n LYS 560 Ca 0.20 -1.30 -0.40 0.00 -2.02 0.00 0.00 58.31 54.79 1b86 n LYS 560 Cb 0.74 -1.32 -0.05 0.00 -0.02 0.00 0.00 35.03 34.38 1b86 n LYS 560 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1b86 s VAL 561 N -1.57 5.03 -0.80 -0.18 1.01 0.86 -5.01 120.40 119.74 1b86 s VAL 561 Ca 0.27 1.49 -0.22 0.00 0.00 0.00 0.00 61.98 63.52 1b86 s VAL 561 Cb 0.14 -4.06 0.08 0.00 0.00 0.00 0.00 36.38 32.54 1b86 s VAL 561 CO 0.20 0.24 1.12 0.21 0.00 0.00 0.00 175.10 176.87 1b86 s ASN 562 N 0.82 6.35 0.39 3.32 3.84 -1.26 -4.93 114.94 123.47 1b86 s ASN 562 Ca 0.39 -1.28 0.08 0.00 0.21 0.00 0.00 52.86 52.25 1b86 s ASN 562 Cb -0.18 -2.45 0.78 0.00 -0.55 0.00 0.00 41.25 38.85 1b86 s ASN 562 CO 0.19 -1.40 1.96 0.58 -2.79 0.00 0.00 177.10 175.64 1b86 h VAL 563 N 6.06 1.15 0.00 -5.21 2.07 -1.95 -2.55 116.25 115.82 1b86 h VAL 563 Ca -0.09 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1b86 h VAL 563 Cb 1.05 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1b86 h VAL 563 CO 1.21 0.19 0.00 0.47 0.02 0.00 0.00 177.57 179.46 1b86 n ASP 564 N -4.36 0.00 -0.38 0.57 9.92 -1.26 0.11 116.55 121.15 1b86 n ASP 564 Ca 0.01 0.83 -0.02 0.00 -0.53 0.00 0.00 54.79 55.08 1b86 n ASP 564 Cb 0.18 -0.33 0.12 0.00 -0.64 0.00 0.00 41.12 40.46 1b86 n ASP 564 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1b86 h GLU 565 N 0.00 1.30 -0.09 -1.24 4.11 -1.96 -1.69 114.58 115.01 1b86 h GLU 565 Ca 0.00 -0.08 -0.20 0.00 0.07 0.00 0.00 59.36 59.15 1b86 h GLU 565 Cb 0.00 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 28.96 1b86 h GLU 565 CO 0.00 0.86 -0.76 0.28 0.07 0.00 0.00 179.01 179.46 1b86 h VAL 566 N 1.34 1.35 -0.05 -1.06 2.07 -1.39 -1.39 116.25 117.12 1b86 h VAL 566 Ca 0.37 -2.11 -0.17 0.00 0.82 0.00 0.00 66.70 65.62 1b86 h VAL 566 Cb -0.12 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1b86 h VAL 566 CO -0.09 0.64 -0.71 1.23 0.02 0.00 0.00 177.57 178.66 1b86 h GLY 567 N 1.07 0.30 1.58 2.17 0.00 0.80 -1.99 103.07 107.00 1b86 h GLY 567 Ca -0.04 -0.42 -0.15 0.00 0.00 0.00 0.00 47.33 46.72 1b86 h GLY 567 CO 0.14 0.38 -0.54 -1.33 0.00 0.00 0.00 176.54 175.18 1b86 h GLY 568 N 1.52 0.48 1.22 4.60 0.00 -1.20 -2.99 103.07 106.70 1b86 h GLY 568 Ca -0.02 -0.55 -0.25 0.00 0.00 0.00 0.00 47.33 46.50 1b86 h GLY 568 CO 0.11 0.50 -0.97 -2.09 0.00 0.00 0.00 176.54 174.09 1b86 h GLU 569 N 0.34 0.72 -0.18 4.80 4.81 -1.29 -2.84 114.58 120.95 1b86 h GLU 569 Ca 0.01 -0.72 0.00 0.00 -0.13 0.00 0.00 59.36 58.52 1b86 h GLU 569 Cb 1.06 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 1b86 h GLU 569 CO 0.10 1.30 0.12 0.00 -0.73 0.00 0.00 179.01 179.80 1b86 h ALA 570 N 0.46 0.23 -0.02 2.92 0.00 -1.34 -1.92 119.26 119.59 1b86 h ALA 570 Ca -0.11 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.58 1b86 h ALA 570 Cb 1.62 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 1b86 h ALA 570 CO 0.19 -0.29 -0.87 1.25 0.00 0.00 0.00 179.25 179.53 1b86 h LEU 571 N 0.24 0.46 -0.10 0.00 5.85 -1.67 -3.12 115.31 116.96 1b86 h LEU 571 Ca 0.06 -0.35 -0.20 0.00 0.84 0.00 0.00 57.88 58.24 1b86 h LEU 571 Cb -0.02 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 40.88 1b86 h LEU 571 CO -0.01 1.13 -0.71 1.23 -0.34 0.00 0.00 178.44 179.74 1b86 h GLY 572 N 1.39 0.73 1.30 3.75 0.00 -1.49 -2.31 103.07 106.44 1b86 h GLY 572 Ca -0.06 -1.08 0.07 0.00 0.00 0.00 0.00 47.33 46.25 1b86 h GLY 572 CO 0.15 0.96 0.31 3.21 0.00 0.00 0.00 176.54 181.17 1b86 h ARG 573 N 0.32 0.34 0.20 4.80 3.08 -1.39 -1.23 114.38 120.51 1b86 h ARG 573 Ca -0.06 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1b86 h ARG 573 Cb 1.36 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.33 1b86 h ARG 573 CO 0.15 0.22 -0.10 1.25 -1.07 0.00 0.00 179.97 180.42 1b86 h LEU 574 N 0.35 -0.23 -1.19 3.04 5.85 -1.48 1.94 115.31 123.59 1b86 h LEU 574 Ca 0.20 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.77 1b86 h LEU 574 Cb 0.36 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 1b86 h LEU 574 CO -0.05 0.07 0.56 -0.07 -0.34 0.00 0.00 178.44 178.61 1b86 h LEU 575 N -0.55 0.90 0.00 2.25 4.07 -0.94 -2.33 115.31 118.72 1b86 h LEU 575 Ca -0.03 -0.01 -0.06 0.00 0.08 0.00 0.00 57.88 57.86 1b86 h LEU 575 Cb 0.41 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.94 1b86 h LEU 575 CO 0.05 0.61 -0.34 0.58 -1.08 0.00 0.00 178.44 178.26 1b86 h VAL 576 N 1.04 1.57 -0.22 1.22 2.07 -0.76 -3.30 116.25 117.87 1b86 h VAL 576 Ca 0.34 -2.31 -0.13 0.00 0.82 0.00 0.00 66.70 65.42 1b86 h VAL 576 Cb 0.05 3.10 -0.00 0.00 -1.52 0.00 0.00 31.29 32.92 1b86 h VAL 576 CO -0.10 0.54 -0.37 0.58 0.02 0.00 0.00 177.57 178.24 1b86 h VAL 577 N -0.98 1.32 -3.13 2.57 2.07 0.32 -3.34 116.25 115.08 1b86 h VAL 577 Ca -0.09 -1.58 -0.65 0.00 0.82 0.00 0.00 66.70 65.20 1b86 h VAL 577 Cb 1.10 1.79 -0.40 0.00 -1.52 0.00 0.00 31.29 32.26 1b86 h VAL 577 CO -0.05 0.49 -0.40 -1.22 0.02 0.00 0.00 177.57 176.42 1b86 n TYR 578 N -4.25 3.60 0.33 1.57 4.01 -0.89 -4.96 117.16 116.58 1b86 n TYR 578 Ca -0.05 -4.24 0.18 0.00 -0.16 0.00 0.00 57.90 53.62 1b86 n TYR 578 Cb 0.52 -0.80 0.94 0.00 -0.31 0.00 0.00 39.34 39.68 1b86 n TYR 578 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1b86 h PRO 579 N 5.54 0.00 0.00 -0.72 0.13 -1.70 -0.99 132.00 134.26 1b86 h PRO 579 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1b86 h PRO 579 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1b86 h PRO 579 CO 0.77 0.00 0.00 0.11 -0.23 0.00 0.00 178.00 178.65 1b86 h TRP 580 N 0.00 0.00 0.00 1.56 0.09 -1.88 -3.09 115.95 112.63 1b86 h TRP 580 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1b86 h TRP 580 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.69 1b86 h TRP 580 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1b86 n THR 581 N -2.38 1.00 0.23 0.12 -2.24 -0.38 -2.69 114.28 107.94 1b86 n THR 581 Ca 0.05 0.26 0.10 0.00 -2.27 0.00 0.00 64.05 62.19 1b86 n THR 581 Cb 0.42 -1.08 0.55 0.00 -2.10 0.00 0.00 70.33 68.13 1b86 n THR 581 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1b86 h GLN 582 N 0.00 0.00 0.00 -0.78 4.20 -1.74 -3.12 115.11 113.68 1b86 h GLN 582 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1b86 h GLN 582 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1b86 h GLN 582 CO 0.00 0.21 0.44 0.07 -0.67 0.00 0.00 178.83 178.88 1b86 h ARG 583 N 0.00 0.00 -0.13 1.46 0.11 -1.73 -0.90 114.38 113.19 1b86 h ARG 583 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1b86 h ARG 583 Cb 0.58 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.66 1b86 h ARG 583 CO 0.03 0.00 0.00 1.19 0.10 0.00 0.00 179.97 181.29 1b86 n PHE 584 N -2.26 0.14 -2.56 4.08 3.72 -1.18 -4.55 117.46 114.85 1b86 n PHE 584 Ca -0.01 -0.08 -0.15 0.00 -0.05 0.00 0.00 57.45 57.17 1b86 n PHE 584 Cb 0.46 -0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.03 1b86 n PHE 584 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1b86 n PHE 585 N 1.25 2.02 0.49 1.38 3.72 -0.34 -4.84 117.46 121.14 1b86 n PHE 585 Ca 0.14 -2.72 0.12 0.00 -0.05 0.00 0.00 57.45 54.94 1b86 n PHE 585 Cb 0.55 -0.26 0.27 0.00 -0.94 0.00 0.00 39.48 39.10 1b86 n PHE 585 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1b86 h GLU 586 N 2.72 0.00 0.00 -1.08 3.07 -1.80 -3.01 114.58 114.48 1b86 h GLU 586 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 1b86 h GLU 586 Cb 1.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 1b86 h GLU 586 CO 0.58 0.00 0.00 0.66 -1.40 0.00 0.00 179.01 178.85 1b86 h SER 587 N 0.00 0.00 0.62 1.42 4.64 -1.94 -2.97 113.55 115.32 1b86 h SER 587 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1b86 h SER 587 Cb 0.82 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 1b86 h SER 587 CO 0.00 0.00 -0.20 -0.26 -0.87 0.00 0.00 176.83 175.50 1b86 h PHE 588 N 0.00 0.00 0.00 4.77 -1.00 -1.91 -3.50 116.94 115.31 1b86 h PHE 588 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1b86 h PHE 588 Cb 0.50 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.06 1b86 h PHE 588 CO 0.00 0.20 0.00 0.41 -1.61 0.00 0.00 178.31 177.31 1b86 n GLY 589 N -0.27 0.33 3.68 -1.45 0.00 -1.12 -4.78 105.19 101.58 1b86 n GLY 589 Ca -0.01 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 1b86 n GLY 589 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1b86 s ASP 590 N -4.00 7.09 -0.04 1.61 2.15 -1.26 -4.82 116.67 117.40 1b86 s ASP 590 Ca 0.00 1.68 0.07 0.00 0.43 0.00 0.00 52.55 54.74 1b86 s ASP 590 Cb 0.00 -2.55 0.13 0.00 -0.30 0.00 0.00 42.92 40.19 1b86 s ASP 590 CO 0.00 -0.59 1.06 0.18 -0.17 0.00 0.00 175.17 175.65 1b86 n LEU 591 N 5.48 0.76 0.00 -1.34 4.77 -1.26 -4.26 117.00 121.16 1b86 n LEU 591 Ca 0.11 -1.71 0.13 0.00 -0.03 0.00 0.00 56.01 54.51 1b86 n LEU 591 Cb 0.47 -0.12 0.74 0.00 -2.33 0.00 0.00 43.42 42.17 1b86 n LEU 591 CO 0.54 0.43 0.94 -1.54 -1.33 0.00 0.00 177.39 176.43 1b86 n SER 592 N -0.35 0.00 -3.91 -1.43 3.41 -1.26 -4.71 113.62 105.37 1b86 n SER 592 Ca 0.05 -0.64 -0.09 0.00 -0.26 0.00 0.00 58.87 57.94 1b86 n SER 592 Cb 0.73 -0.07 -0.08 0.00 -0.26 0.00 0.00 64.21 64.53 1b86 n SER 592 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1b86 s THR 593 N -2.14 0.15 0.24 6.66 -4.23 -1.26 -4.96 115.64 110.10 1b86 s THR 593 Ca 0.35 -1.24 -0.06 0.00 -1.18 0.00 0.00 61.69 59.56 1b86 s THR 593 Cb 0.18 -1.26 0.21 0.00 1.34 0.00 0.00 72.50 72.97 1b86 s THR 593 CO 0.32 -0.69 1.71 -0.65 -0.54 0.00 0.00 174.62 174.77 1b86 h PRO 594 N 3.03 0.33 -0.12 3.99 0.11 -1.98 0.82 132.00 138.18 1b86 h PRO 594 Ca -0.34 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.58 1b86 h PRO 594 Cb 1.19 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 32.23 1b86 h PRO 594 CO 0.56 0.22 -0.60 -0.44 -0.21 0.00 0.00 178.00 177.53 1b86 h ASP 595 N 0.34 0.73 -0.39 -2.05 3.32 -1.97 0.86 116.42 117.26 1b86 h ASP 595 Ca 0.39 -0.64 0.06 0.00 0.02 0.00 0.00 57.03 56.86 1b86 h ASP 595 Cb 0.61 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1b86 h ASP 595 CO -0.44 1.25 0.27 0.00 -1.72 0.00 0.00 179.24 178.61 1b86 h ALA 596 N 0.50 2.03 0.09 3.45 0.00 -1.65 -2.34 119.26 121.33 1b86 h ALA 596 Ca -0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1b86 h ALA 596 Cb 1.24 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1b86 h ALA 596 CO 0.12 -0.11 -0.04 0.28 0.00 0.00 0.00 179.25 179.50 1b86 h VAL 597 N 0.27 1.05 -0.79 0.00 2.07 0.14 -2.97 116.25 116.02 1b86 h VAL 597 Ca 0.17 -1.39 0.07 0.00 0.82 0.00 0.00 66.70 66.37 1b86 h VAL 597 Cb 0.35 1.83 -0.06 0.00 -1.52 0.00 0.00 31.29 31.90 1b86 h VAL 597 CO -0.04 0.30 0.47 0.24 0.02 0.00 0.00 177.57 178.56 1b86 h MET 598 N -0.85 0.82 0.00 1.57 2.07 0.89 -2.86 114.93 116.56 1b86 h MET 598 Ca -0.01 -0.05 -0.12 0.00 -2.07 0.00 0.00 59.70 57.45 1b86 h MET 598 Cb 0.58 -0.18 -0.02 0.00 -1.87 0.00 0.00 31.60 30.11 1b86 h MET 598 CO 0.02 0.54 -0.58 0.78 1.07 0.00 0.00 176.91 178.74 1b86 h GLY 599 N 0.84 0.00 -5.03 8.32 0.00 -1.60 -3.46 103.07 102.15 1b86 h GLY 599 Ca 0.35 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 47.14 1b86 h GLY 599 CO -0.19 0.00 1.00 0.21 0.00 0.00 0.00 176.54 177.56 1b86 s ASN 600 N -6.54 6.66 0.58 0.19 3.84 -1.08 -4.85 114.94 113.73 1b86 s ASN 600 Ca 0.02 2.36 0.27 0.00 0.21 0.00 0.00 52.86 55.72 1b86 s ASN 600 Cb 0.09 -2.55 1.68 0.00 -0.55 0.00 0.00 41.25 39.92 1b86 s ASN 600 CO 0.75 -0.87 2.20 1.55 -2.79 0.00 0.00 177.10 177.93 1b86 h PRO 601 N 8.63 0.00 0.20 0.43 0.13 -1.90 0.25 132.00 139.74 1b86 h PRO 601 Ca -0.41 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.71 1b86 h PRO 601 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1b86 h PRO 601 CO 0.93 0.00 -0.10 0.87 -0.23 0.00 0.00 178.00 179.47 1b86 h LYS 602 N 0.00 -0.26 -0.99 0.86 1.79 -1.89 -0.46 116.57 115.61 1b86 h LYS 602 Ca 0.02 0.02 0.17 0.00 -2.18 0.00 0.00 60.65 58.68 1b86 h LYS 602 Cb 0.12 0.06 -0.10 0.00 -1.58 0.00 0.00 32.23 30.73 1b86 h LYS 602 CO -0.00 -0.01 0.62 0.28 -1.08 0.00 0.00 179.45 179.26 1b86 h VAL 603 N -1.02 0.77 0.09 0.50 2.07 -1.62 0.35 116.25 117.39 1b86 h VAL 603 Ca -0.03 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1b86 h VAL 603 Cb 0.38 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1b86 h VAL 603 CO 0.05 0.15 -0.04 0.50 0.02 0.00 0.00 177.57 178.24 1b86 h LYS 604 N 0.80 -0.11 0.00 1.57 3.64 -1.07 1.02 116.57 122.42 1b86 h LYS 604 Ca 0.54 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.85 1b86 h LYS 604 Cb 0.80 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.63 1b86 h LYS 604 CO -0.33 0.01 -0.37 0.00 -2.27 0.00 0.00 179.45 176.49 1b86 h ALA 605 N 0.70 0.84 0.02 5.00 0.00 -0.45 -2.02 119.26 123.34 1b86 h ALA 605 Ca -0.01 -0.33 -0.24 0.00 0.00 0.00 0.00 54.91 54.32 1b86 h ALA 605 Cb 0.17 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1b86 h ALA 605 CO 0.02 0.46 -1.01 1.25 0.00 0.00 0.00 179.25 179.97 1b86 h HIS 606 N 0.00 0.73 0.49 0.00 -0.00 0.16 -2.80 115.15 113.73 1b86 h HIS 606 Ca -0.00 -0.41 -0.01 0.00 -0.00 0.00 0.00 60.37 59.94 1b86 h HIS 606 Cb 1.11 -0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 28.42 1b86 h HIS 606 CO 0.00 1.24 -0.43 0.78 -0.00 0.00 0.00 177.93 179.52 1b86 h GLY 607 N 1.00 -1.07 1.24 5.26 0.00 0.14 -2.05 103.07 107.59 1b86 h GLY 607 Ca -0.10 0.49 0.11 0.00 0.00 0.00 0.00 47.33 47.83 1b86 h GLY 607 CO 0.18 -0.35 0.28 1.70 0.00 0.00 0.00 176.54 178.35 1b86 h LYS 608 N -0.92 0.04 0.16 4.80 3.11 -1.44 -1.67 116.57 120.65 1b86 h LYS 608 Ca -0.05 -0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.78 1b86 h LYS 608 Cb 0.79 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.01 1b86 h LYS 608 CO -0.03 0.03 -0.07 -0.22 -2.81 0.00 0.00 179.45 176.34 1b86 h LYS 609 N 0.04 -0.20 0.55 1.90 3.64 -1.17 0.34 116.57 121.67 1b86 h LYS 609 Ca 0.19 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 1b86 h LYS 609 Cb 0.69 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1b86 h LYS 609 CO -0.01 0.16 -0.32 0.28 -2.27 0.00 0.00 179.45 177.29 1b86 h VAL 610 N -0.61 0.34 -0.80 2.00 2.07 -1.19 -2.25 116.25 115.82 1b86 h VAL 610 Ca -0.02 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.57 1b86 h VAL 610 Cb 0.46 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 1b86 h VAL 610 CO 0.04 0.00 0.53 0.25 0.02 0.00 0.00 177.57 178.40 1b86 h LEU 611 N -0.82 0.75 0.03 2.57 7.12 -1.41 -0.06 115.31 123.49 1b86 h LEU 611 Ca -0.07 0.01 0.01 0.00 0.13 0.00 0.00 57.88 57.96 1b86 h LEU 611 Cb 0.66 -0.15 -0.03 0.00 -0.53 0.00 0.00 40.66 40.61 1b86 h LEU 611 CO 0.08 0.48 -0.28 1.23 -0.13 0.00 0.00 178.44 179.82 1b86 h GLY 612 N 0.85 -1.23 2.00 3.75 0.00 -0.22 -0.40 103.07 107.82 1b86 h GLY 612 Ca 0.35 0.62 0.00 0.00 0.00 0.00 0.00 47.33 48.30 1b86 h GLY 612 CO -0.13 -0.37 0.00 0.00 0.00 0.00 0.00 176.54 176.04 1b86 h ALA 613 N -0.97 1.00 0.44 3.60 0.00 -0.76 -3.08 119.26 119.49 1b86 h ALA 613 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1b86 h ALA 613 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1b86 h ALA 613 CO -0.17 0.00 -0.21 0.35 0.00 0.00 0.00 179.25 179.22 1b86 h PHE 614 N 0.00 -0.55 -0.70 0.00 3.04 0.06 -3.24 116.94 115.55 1b86 h PHE 614 Ca 0.00 -0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.05 1b86 h PHE 614 Cb 0.49 0.18 -0.12 0.00 2.56 0.00 0.00 35.95 39.07 1b86 h PHE 614 CO 0.00 -0.23 -0.26 0.45 -2.02 0.00 0.00 178.31 176.25 1b86 n SER 615 N -5.24 -0.42 0.16 0.41 2.88 -0.27 -1.09 113.62 110.05 1b86 n SER 615 Ca -0.11 1.22 0.06 0.00 -1.33 0.00 0.00 58.87 58.72 1b86 n SER 615 Cb 0.30 -0.30 0.54 0.00 -0.75 0.00 0.00 64.21 63.99 1b86 n SER 615 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1b86 h ASP 616 N 0.00 0.18 0.78 -3.46 3.58 -1.61 -2.44 116.42 113.44 1b86 h ASP 616 Ca 0.26 -0.01 -0.15 0.00 0.42 0.00 0.00 57.03 57.56 1b86 h ASP 616 Cb 0.44 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.42 1b86 h ASP 616 CO -0.70 0.16 -0.70 1.23 -2.88 0.00 0.00 179.24 176.35 1b86 h GLY 617 N 0.29 0.00 2.00 -0.78 0.00 -1.15 -2.43 103.07 100.99 1b86 h GLY 617 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1b86 h GLY 617 CO -0.01 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.94 1b86 h LEU 618 N 0.00 0.00 0.00 3.11 3.38 -1.40 0.40 115.31 120.80 1b86 h LEU 618 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1b86 h LEU 618 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1b86 h LEU 618 CO 0.09 0.00 -0.29 0.00 0.09 0.00 0.00 178.44 178.33 1b86 n ALA 619 N -1.93 2.77 -2.77 1.53 0.00 -0.92 -4.23 120.51 114.95 1b86 n ALA 619 Ca -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 53.44 53.21 1b86 n ALA 619 Cb 0.06 -1.31 0.06 0.00 0.00 0.00 0.00 19.45 18.27 1b86 n ALA 619 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1b86 n HIS 620 N -1.84 0.66 0.15 0.00 8.25 0.13 -4.95 115.22 117.63 1b86 n HIS 620 Ca 0.05 -2.22 0.06 0.00 -0.26 0.00 0.00 57.72 55.36 1b86 n HIS 620 Cb 0.39 0.04 0.32 0.00 1.12 0.00 0.00 29.99 31.86 1b86 n HIS 620 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1b86 n LEU 621 N -0.61 0.31 0.02 2.41 4.32 -0.75 0.87 117.00 123.57 1b86 n LEU 621 Ca 0.04 0.53 0.12 0.00 -0.02 0.00 0.00 56.01 56.67 1b86 n LEU 621 Cb 0.82 -0.47 0.13 0.00 -1.62 0.00 0.00 43.42 42.27 1b86 n LEU 621 CO 0.08 -0.63 0.24 -0.90 -1.22 0.00 0.00 177.39 174.95 1b86 n ASP 622 N -1.99 0.62 -2.76 -1.43 5.68 -1.26 -4.15 116.55 111.26 1b86 n ASP 622 Ca -0.01 -0.23 -0.05 0.00 -0.50 0.00 0.00 54.79 54.00 1b86 n ASP 622 Cb 0.33 0.48 0.02 0.00 -1.14 0.00 0.00 41.12 40.81 1b86 n ASP 622 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1b86 n ASN 623 N -1.77 -3.28 -0.01 -1.12 4.05 0.25 -4.92 115.26 108.47 1b86 n ASN 623 Ca 0.04 -2.99 0.13 0.00 0.45 0.00 0.00 54.58 52.21 1b86 n ASN 623 Cb 0.39 1.76 0.44 0.00 1.23 0.00 0.00 39.78 43.60 1b86 n ASN 623 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1b86 n LEU 624 N 2.59 0.27 0.08 1.20 4.77 -1.02 -1.92 117.00 122.98 1b86 n LEU 624 Ca 0.15 0.23 -0.10 0.00 -0.03 0.00 0.00 56.01 56.26 1b86 n LEU 624 Cb 0.58 -0.36 -0.07 0.00 -2.33 0.00 0.00 43.42 41.24 1b86 n LEU 624 CO -0.01 0.07 0.37 0.11 -1.33 0.00 0.00 177.39 176.60 1b86 h LYS 625 N 0.03 -0.27 0.00 3.23 6.56 -1.89 -2.07 116.57 122.15 1b86 h LYS 625 Ca 0.00 0.02 -0.19 0.00 -1.06 0.00 0.00 60.65 59.42 1b86 h LYS 625 Cb 0.49 0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 32.19 1b86 h LYS 625 CO 0.00 0.10 -0.88 0.78 -2.06 0.00 0.00 179.45 177.39 1b86 h GLY 626 N -0.90 0.00 0.93 3.86 0.00 -1.96 -1.49 103.07 103.50 1b86 h GLY 626 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 1b86 h GLY 626 CO 0.05 0.00 0.12 -0.84 0.00 0.00 0.00 176.54 175.87 1b86 h THR 627 N 0.00 1.15 -0.10 4.70 2.02 -1.51 -3.24 112.91 115.93 1b86 h THR 627 Ca -0.01 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1b86 h THR 627 Cb 1.63 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.99 1b86 h THR 627 CO 0.11 0.15 0.00 0.49 0.37 0.00 0.00 175.52 176.65 1b86 n PHE 628 N -4.80 0.11 -0.31 3.16 3.72 -0.78 -4.70 117.46 113.86 1b86 n PHE 628 Ca -0.02 -0.06 0.15 0.00 -0.05 0.00 0.00 57.45 57.47 1b86 n PHE 628 Cb 0.11 0.00 0.33 0.00 -0.94 0.00 0.00 39.48 38.97 1b86 n PHE 628 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1b86 h ALA 629 N 4.37 1.44 0.03 4.37 0.00 -1.30 -0.52 119.26 127.65 1b86 h ALA 629 Ca 0.00 0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 1b86 h ALA 629 Cb 0.66 0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.71 1b86 h ALA 629 CO 0.00 -0.45 -0.57 1.79 0.00 0.00 0.00 179.25 180.02 1b86 h THR 630 N 0.28 1.47 0.00 0.00 1.35 -1.87 0.72 112.91 114.86 1b86 h THR 630 Ca 0.59 -2.15 -0.01 0.00 -0.55 0.00 0.00 66.41 64.29 1b86 h THR 630 Cb 1.20 2.75 -0.00 0.00 -1.73 0.00 0.00 68.15 70.37 1b86 h THR 630 CO -0.61 0.61 -0.06 -0.07 -0.25 0.00 0.00 175.52 175.14 1b86 h LEU 631 N -0.23 0.00 0.48 3.87 3.38 -1.80 -0.44 115.31 120.56 1b86 h LEU 631 Ca -0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1b86 h LEU 631 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1b86 h LEU 631 CO 0.11 0.06 -0.23 -1.28 0.09 0.00 0.00 178.44 177.20 1b86 h SER 632 N 0.00 -0.54 0.16 -0.43 0.87 -0.66 -2.34 113.55 110.61 1b86 h SER 632 Ca -0.00 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 1b86 h SER 632 Cb 0.18 0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1b86 h SER 632 CO 0.01 -0.21 -0.14 -0.33 -0.53 0.00 0.00 176.83 175.64 1b86 h GLU 633 N -1.00 0.00 -0.33 2.24 5.08 -0.51 -2.77 114.58 117.29 1b86 h GLU 633 Ca -0.07 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 1b86 h GLU 633 Cb 0.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1b86 h GLU 633 CO 0.11 0.14 -0.22 1.25 -1.00 0.00 0.00 179.01 179.29 1b86 h LEU 634 N 0.00 0.63 -0.58 1.33 5.85 -1.08 -0.70 115.31 120.77 1b86 h LEU 634 Ca -0.00 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.45 1b86 h LEU 634 Cb 0.25 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1b86 h LEU 634 CO 0.02 0.85 0.13 0.45 -0.34 0.00 0.00 178.44 179.55 1b86 h HIS 635 N 0.56 0.98 0.00 1.25 3.86 -1.19 -0.35 115.15 120.26 1b86 h HIS 635 Ca 0.08 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1b86 h HIS 635 Cb 0.67 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.87 1b86 h HIS 635 CO 0.03 0.84 0.00 0.00 0.86 0.00 0.00 177.93 179.66 1b86 h ASP 637 N 0.00 0.33 0.00 0.00 3.32 -1.26 -3.11 116.42 115.71 1b86 h ASP 637 Ca 0.00 -0.12 -0.19 0.00 0.02 0.00 0.00 57.03 56.75 1b86 h ASP 637 Cb 0.00 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 1b86 h ASP 637 CO 0.00 0.63 -1.63 0.29 -1.72 0.00 0.00 179.24 176.81 1b86 n LYS 638 N -4.11 0.24 0.12 3.56 5.02 -0.34 -4.78 118.16 117.88 1b86 n LYS 638 Ca -0.01 0.10 0.12 0.00 -2.02 0.00 0.00 58.31 56.50 1b86 n LYS 638 Cb 0.41 -0.91 0.13 0.00 -0.02 0.00 0.00 35.03 34.64 1b86 n LYS 638 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1b86 h LEU 639 N -0.39 0.00 -1.79 -0.35 3.38 -1.18 -3.49 115.31 111.49 1b86 h LEU 639 Ca -0.28 -0.06 -0.45 0.00 0.09 0.00 0.00 57.88 57.18 1b86 h LEU 639 Cb 1.25 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.02 1b86 h LEU 639 CO -0.17 0.03 -0.85 1.41 0.09 0.00 0.00 178.44 178.96 1b86 n HIS 640 N -2.58 -1.84 -3.33 1.13 8.25 0.11 -4.97 115.22 111.99 1b86 n HIS 640 Ca 0.02 0.81 -0.38 0.00 -0.26 0.00 0.00 57.72 57.92 1b86 n HIS 640 Cb 0.50 -4.17 -0.06 0.00 1.12 0.00 0.00 29.99 27.39 1b86 n HIS 640 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1b86 s VAL 641 N -3.75 5.05 0.04 1.59 1.01 -0.07 -4.99 120.40 119.28 1b86 s VAL 641 Ca 0.03 1.02 -0.30 0.00 0.00 0.00 0.00 61.98 62.72 1b86 s VAL 641 Cb -0.01 -3.83 -0.06 0.00 0.00 0.00 0.00 36.38 32.48 1b86 s VAL 641 CO 0.84 0.43 1.28 -0.62 0.00 0.00 0.00 175.10 177.03 1b86 s ASP 642 N -0.12 6.97 0.41 3.32 -1.08 -1.26 -4.66 116.67 120.25 1b86 s ASP 642 Ca 0.27 2.07 0.25 0.00 -0.52 0.00 0.00 52.55 54.61 1b86 s ASP 642 Cb -0.17 -2.57 1.34 0.00 -1.46 0.00 0.00 42.92 40.06 1b86 s ASP 642 CO 0.13 -0.58 1.73 -0.65 0.52 0.00 0.00 175.17 176.32 1b86 h PRO 643 N 7.15 0.00 0.00 4.34 0.11 -1.97 -1.71 132.00 139.92 1b86 h PRO 643 Ca -0.40 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.67 1b86 h PRO 643 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1b86 h PRO 643 CO 0.85 0.00 -0.21 1.49 -0.21 0.00 0.00 178.00 179.92 1b86 h GLU 644 N 0.00 0.00 0.00 1.05 4.57 -1.97 0.19 114.58 118.42 1b86 h GLU 644 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1b86 h GLU 644 Cb 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1b86 h GLU 644 CO 0.00 0.21 0.00 -0.91 -1.18 0.00 0.00 179.01 177.13 1b86 h ASN 645 N 0.00 0.00 0.27 1.04 -0.26 -1.70 0.14 115.58 115.07 1b86 h ASN 645 Ca -0.00 0.00 -0.26 0.00 -0.56 0.00 0.00 56.30 55.48 1b86 h ASN 645 Cb 0.42 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.69 1b86 h ASN 645 CO 0.03 0.00 -1.10 -0.26 -1.06 0.00 0.00 177.43 175.04 1b86 h PHE 646 N 0.00 0.79 -0.06 1.19 0.04 -0.82 0.21 116.94 118.29 1b86 h PHE 646 Ca 0.00 -0.47 -0.04 0.00 2.80 0.00 0.00 57.97 60.26 1b86 h PHE 646 Cb 0.10 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.18 1b86 h PHE 646 CO 0.00 1.31 -0.13 0.00 -0.60 0.00 0.00 178.31 178.89 1b86 h ARG 647 N 0.25 0.19 -0.27 1.51 3.08 -1.04 -2.10 114.38 116.00 1b86 h ARG 647 Ca -0.13 -0.13 0.06 0.00 0.07 0.00 0.00 59.98 59.86 1b86 h ARG 647 Cb 1.76 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 31.76 1b86 h ARG 647 CO 0.20 0.72 -0.15 -0.07 -1.07 0.00 0.00 179.97 179.60 1b86 h LEU 648 N -0.31 -0.50 -0.41 3.04 3.38 -0.57 -1.81 115.31 118.14 1b86 h LEU 648 Ca 0.00 0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.15 1b86 h LEU 648 Cb 0.72 0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.68 1b86 h LEU 648 CO 0.03 -0.19 0.07 0.25 0.09 0.00 0.00 178.44 178.69 1b86 h LEU 649 N -0.12 -0.02 -0.45 1.67 5.85 -0.52 -1.80 115.31 119.92 1b86 h LEU 649 Ca 0.15 0.07 0.09 0.00 0.84 0.00 0.00 57.88 59.03 1b86 h LEU 649 Cb 0.34 0.11 -0.10 0.00 0.37 0.00 0.00 40.66 41.38 1b86 h LEU 649 CO -0.35 0.02 -0.29 1.23 -0.34 0.00 0.00 178.44 178.72 1b86 h GLY 650 N 0.19 -0.09 0.52 3.75 0.00 -0.65 0.74 103.07 107.53 1b86 h GLY 650 Ca 0.20 0.36 0.07 0.00 0.00 0.00 0.00 47.33 47.96 1b86 h GLY 650 CO -0.27 -0.21 0.19 3.43 0.00 0.00 0.00 176.54 179.68 1b86 h ASN 651 N -0.19 0.20 -0.67 0.19 2.35 -0.91 0.31 115.58 116.86 1b86 h ASN 651 Ca 0.20 0.06 -0.08 0.00 -0.55 0.00 0.00 56.30 55.93 1b86 h ASN 651 Cb 0.51 0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.90 1b86 h ASN 651 CO -0.56 0.14 0.11 0.58 -1.65 0.00 0.00 177.43 176.05 1b86 h VAL 652 N 0.38 1.26 0.03 2.81 2.07 -0.18 -2.57 116.25 120.05 1b86 h VAL 652 Ca 0.25 -1.04 0.01 0.00 0.82 0.00 0.00 66.70 66.74 1b86 h VAL 652 Cb 0.27 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1b86 h VAL 652 CO -0.25 0.39 -0.19 0.25 0.02 0.00 0.00 177.57 177.79 1b86 h LEU 653 N 1.04 -0.57 -1.47 2.57 5.85 0.10 0.26 115.31 123.09 1b86 h LEU 653 Ca 0.20 0.06 0.36 0.00 0.84 0.00 0.00 57.88 59.34 1b86 h LEU 653 Cb 0.44 0.21 -0.10 0.00 0.37 0.00 0.00 40.66 41.58 1b86 h LEU 653 CO 0.01 -0.19 0.79 0.58 -0.34 0.00 0.00 178.44 179.29 1b86 h VAL 654 N -0.26 0.32 0.00 1.05 2.07 -0.85 1.30 116.25 119.89 1b86 h VAL 654 Ca -0.00 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.38 1b86 h VAL 654 Cb 0.26 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1b86 h VAL 654 CO -0.11 0.04 -0.32 0.00 0.02 0.00 0.00 177.57 177.20 1b86 h VAL 656 N 0.00 1.47 -0.87 0.00 2.07 0.51 -2.34 116.25 117.08 1b86 h VAL 656 Ca -0.00 -2.55 0.15 0.00 0.82 0.00 0.00 66.70 65.12 1b86 h VAL 656 Cb 1.13 3.16 -0.10 0.00 -1.52 0.00 0.00 31.29 33.97 1b86 h VAL 656 CO 0.04 0.73 0.46 -0.07 0.02 0.00 0.00 177.57 178.75 1b86 h LEU 657 N -0.32 0.56 -0.25 2.57 3.38 -1.05 -1.58 115.31 118.62 1b86 h LEU 657 Ca -0.16 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1b86 h LEU 657 Cb 1.71 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.45 1b86 h LEU 657 CO 0.16 0.22 0.05 0.00 0.09 0.00 0.00 178.44 178.97 1b86 h ALA 658 N 1.57 0.33 -0.52 1.53 0.00 -1.49 0.94 119.26 121.62 1b86 h ALA 658 Ca 0.48 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.32 1b86 h ALA 658 Cb 0.69 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.29 1b86 h ALA 658 CO -0.37 -0.00 -0.08 1.25 0.00 0.00 0.00 179.25 180.05 1b86 h HIS 659 N 0.23 -0.19 -0.11 0.00 6.17 -0.74 -0.38 115.15 120.12 1b86 h HIS 659 Ca 0.08 0.04 -0.22 0.00 0.71 0.00 0.00 60.37 60.98 1b86 h HIS 659 Cb 0.31 0.16 0.01 0.00 2.52 0.00 0.00 27.41 30.41 1b86 h HIS 659 CO 0.02 -0.19 -0.81 0.45 0.71 0.00 0.00 177.93 178.11 1b86 h HIS 660 N 0.04 1.03 -0.38 5.26 -0.00 -1.31 -3.37 115.15 116.43 1b86 h HIS 660 Ca 0.26 -0.48 0.00 0.00 -0.00 0.00 0.00 60.37 60.15 1b86 h HIS 660 Cb 0.40 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 27.66 1b86 h HIS 660 CO -0.40 1.31 0.00 1.19 -0.00 0.00 0.00 177.93 180.03 1b86 n PHE 661 N -3.96 0.50 0.00 2.45 3.72 0.32 -5.04 117.46 115.45 1b86 n PHE 661 Ca -0.08 -0.32 0.00 0.00 -0.05 0.00 0.00 57.45 57.00 1b86 n PHE 661 Cb 0.76 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.29 1b86 n PHE 661 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1b86 n GLY 662 N 1.15 0.44 0.34 1.37 0.00 -0.18 -0.08 105.19 108.24 1b86 n GLY 662 Ca 0.16 0.07 0.32 0.00 0.00 0.00 0.00 46.02 46.58 1b86 n GLY 662 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1b86 h LYS 663 N 0.00 0.02 0.00 1.61 1.63 -1.96 -0.44 116.57 117.42 1b86 h LYS 663 Ca 0.00 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1b86 h LYS 663 Cb 0.00 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1b86 h LYS 663 CO 0.00 0.01 0.00 1.49 -3.45 0.00 0.00 179.45 177.50 1b86 h GLU 664 N 0.02 0.00 -3.74 1.90 4.81 -0.88 -3.38 114.58 113.31 1b86 h GLU 664 Ca 0.85 0.00 -0.79 0.00 -0.13 0.00 0.00 59.36 59.29 1b86 h GLU 664 Cb 2.28 0.00 -0.27 0.00 0.63 0.00 0.00 28.75 31.39 1b86 h GLU 664 CO -0.73 0.00 0.17 0.12 -0.73 0.00 0.00 179.01 177.85 1b86 s PHE 665 N -3.67 3.89 0.56 0.92 5.36 -0.18 -4.93 117.98 119.94 1b86 s PHE 665 Ca 0.01 -2.22 -0.09 0.00 -0.96 0.00 0.00 56.93 53.67 1b86 s PHE 665 Cb 0.09 -3.80 -0.04 0.00 -0.34 0.00 0.00 43.02 38.94 1b86 s PHE 665 CO 0.51 -0.97 0.93 0.95 -1.46 0.00 0.00 175.22 175.18 1b86 s THR 666 N -0.25 4.78 0.22 0.12 -4.23 -1.26 -4.71 115.64 110.31 1b86 s THR 666 Ca 0.21 0.64 -0.15 0.00 -1.18 0.00 0.00 61.69 61.22 1b86 s THR 666 Cb -0.10 -3.86 0.26 0.00 1.34 0.00 0.00 72.50 70.14 1b86 s THR 666 CO -0.09 -1.00 1.59 -0.65 -0.54 0.00 0.00 174.62 173.93 1b86 h PRO 667 N -0.01 -0.05 -0.47 3.99 0.11 -1.95 0.62 132.00 134.23 1b86 h PRO 667 Ca -0.45 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 1b86 h PRO 667 Cb 1.19 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1b86 h PRO 667 CO 0.62 -0.03 -0.03 -1.35 -0.21 0.00 0.00 178.00 176.99 1b86 h PRO 668 N -0.05 0.80 -0.17 1.05 0.11 -1.98 -1.90 132.00 129.85 1b86 h PRO 668 Ca 0.33 -0.23 -0.19 0.00 0.11 0.00 0.00 66.00 66.02 1b86 h PRO 668 Cb 0.58 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 31.61 1b86 h PRO 668 CO -0.81 0.82 -0.64 0.28 -0.21 0.00 0.00 178.00 177.45 1b86 h VAL 669 N 0.74 1.30 -0.53 3.15 2.07 -0.41 -3.10 116.25 119.46 1b86 h VAL 669 Ca 0.14 -1.86 0.08 0.00 0.82 0.00 0.00 66.70 65.88 1b86 h VAL 669 Cb 0.49 1.96 -0.07 0.00 -1.52 0.00 0.00 31.29 32.15 1b86 h VAL 669 CO 0.02 0.59 0.17 -0.61 0.02 0.00 0.00 177.57 177.76 1b86 h GLN 670 N 0.44 0.32 -0.09 1.57 4.15 0.10 -2.22 115.11 119.39 1b86 h GLN 670 Ca -0.03 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.33 1b86 h GLN 670 Cb 1.27 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.87 1b86 h GLN 670 CO 0.13 0.21 -0.11 0.00 -1.93 0.00 0.00 178.83 177.14 1b86 h ALA 671 N 1.37 1.66 0.11 3.38 0.00 -1.28 0.36 119.26 124.86 1b86 h ALA 671 Ca 0.26 -0.15 -0.27 0.00 0.00 0.00 0.00 54.91 54.75 1b86 h ALA 671 Cb 0.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1b86 h ALA 671 CO -0.29 0.25 -1.20 0.00 0.00 0.00 0.00 179.25 178.01 1b86 h ALA 672 N 1.77 0.13 -0.59 0.00 0.00 -1.44 -3.11 119.26 116.02 1b86 h ALA 672 Ca 0.03 -0.88 -0.10 0.00 0.00 0.00 0.00 54.91 53.96 1b86 h ALA 672 Cb 0.28 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1b86 h ALA 672 CO 0.02 0.99 -0.02 1.88 0.00 0.00 0.00 179.25 182.11 1b86 h TYR 673 N 0.08 1.14 -0.08 0.00 0.05 -0.71 -0.76 116.97 116.69 1b86 h TYR 673 Ca -0.12 -0.20 0.02 0.00 0.05 0.00 0.00 58.73 58.48 1b86 h TYR 673 Cb 1.93 -0.30 -0.00 0.00 1.01 0.00 0.00 36.73 39.37 1b86 h TYR 673 CO 0.06 1.02 0.07 1.96 -1.05 0.00 0.00 178.16 180.21 1b86 h GLN 674 N 0.95 0.00 0.00 4.88 1.08 -0.28 0.94 115.11 122.69 1b86 h GLN 674 Ca 0.17 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.20 1b86 h GLN 674 Cb 0.57 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.98 1b86 h GLN 674 CO 0.03 0.00 -0.79 0.87 -0.95 0.00 0.00 178.83 177.99 1b86 h LYS 675 N 0.00 0.00 0.23 1.46 1.57 -1.13 -2.95 116.57 115.75 1b86 h LYS 675 Ca 0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1b86 h LYS 675 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1b86 h LYS 675 CO -0.00 0.79 -0.11 0.28 -0.57 0.00 0.00 179.45 179.84 1b86 h VAL 676 N 0.00 0.58 0.00 0.50 2.07 0.43 -2.01 116.25 117.82 1b86 h VAL 676 Ca -0.01 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1b86 h VAL 676 Cb 1.53 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 1b86 h VAL 676 CO 0.10 0.15 0.00 1.33 0.02 0.00 0.00 177.57 179.17 1b86 n VAL 677 N -4.98 1.07 0.00 2.57 0.24 -0.41 -0.88 118.33 115.94 1b86 n VAL 677 Ca -0.07 0.41 -0.07 0.00 -2.04 0.00 0.00 64.34 62.57 1b86 n VAL 677 Cb 0.24 -1.34 -0.13 0.00 -1.47 0.00 0.00 33.84 31.14 1b86 n VAL 677 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1b86 h ALA 678 N 2.20 0.68 0.00 2.33 0.00 -1.52 -2.54 119.26 120.40 1b86 h ALA 678 Ca 0.00 -1.27 -0.13 0.00 0.00 0.00 0.00 54.91 53.51 1b86 h ALA 678 Cb 0.19 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1b86 h ALA 678 CO 0.00 1.43 -0.63 0.78 0.00 0.00 0.00 179.25 180.83 1b86 h GLY 679 N 3.43 0.00 0.54 0.00 0.00 -0.54 -1.59 103.07 104.92 1b86 h GLY 679 Ca -0.21 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 1b86 h GLY 679 CO 0.08 0.00 -0.08 -2.08 0.00 0.00 0.00 176.54 174.46 1b86 h VAL 680 N 0.00 0.94 -0.79 4.60 2.07 -1.02 0.14 116.25 122.18 1b86 h VAL 680 Ca -0.01 -0.89 0.15 0.00 0.82 0.00 0.00 66.70 66.78 1b86 h VAL 680 Cb 1.42 1.44 -0.10 0.00 -1.52 0.00 0.00 31.29 32.53 1b86 h VAL 680 CO 0.08 0.19 0.34 0.00 0.02 0.00 0.00 177.57 178.21 1b86 h ALA 681 N -0.01 1.16 -0.21 1.67 0.00 -1.48 0.80 119.26 121.20 1b86 h ALA 681 Ca -0.02 0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1b86 h ALA 681 Cb 0.49 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1b86 h ALA 681 CO 0.04 -0.20 -0.41 -0.91 0.00 0.00 0.00 179.25 177.77 1b86 h ASN 682 N 0.48 0.51 0.71 0.00 2.35 -1.21 -0.17 115.58 118.26 1b86 h ASN 682 Ca 0.44 -0.23 -0.26 0.00 -0.55 0.00 0.00 56.30 55.71 1b86 h ASN 682 Cb 0.68 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 1b86 h ASN 682 CO -0.41 0.87 -1.21 0.00 -1.65 0.00 0.00 177.43 175.02 1b86 h ALA 683 N 1.16 0.19 -0.09 -0.83 0.00 0.13 -2.92 119.26 116.91 1b86 h ALA 683 Ca 0.03 -0.93 -0.04 0.00 0.00 0.00 0.00 54.91 53.98 1b86 h ALA 683 Cb 0.89 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1b86 h ALA 683 CO 0.08 1.08 -0.13 -0.07 0.00 0.00 0.00 179.25 180.21 1b86 h LEU 684 N 0.05 0.12 -1.96 0.00 3.38 0.59 -3.07 115.31 114.42 1b86 h LEU 684 Ca -0.11 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1b86 h LEU 684 Cb 1.92 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.64 1b86 h LEU 684 CO 0.18 0.27 0.00 0.00 0.09 0.00 0.00 178.44 178.98 1b86 n ALA 685 N -2.50 3.01 0.36 1.53 0.00 -0.08 -4.47 120.51 118.37 1b86 n ALA 685 Ca -0.01 -0.77 0.04 0.00 0.00 0.00 0.00 53.44 52.70 1b86 n ALA 685 Cb 0.24 -1.05 0.04 0.00 0.00 0.00 0.00 19.45 18.68 1b86 n ALA 685 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1b86 n HIS 686 N 0.28 0.00 -0.29 0.00 -0.00 -1.16 -4.05 115.22 109.99 1b86 n HIS 686 Ca 0.11 -0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.89 1b86 n HIS 686 Cb 0.60 -0.00 0.17 0.00 -0.00 0.00 0.00 29.99 30.77 1b86 n HIS 686 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1b86 n LYS 687 N 0.49 2.89 -2.22 1.57 4.76 -1.26 -4.98 118.16 119.42 1b86 n LYS 687 Ca 0.05 -2.18 -0.37 0.00 -2.87 0.00 0.00 58.31 52.95 1b86 n LYS 687 Cb 0.22 -1.36 -0.00 0.00 -1.84 0.00 0.00 35.03 32.05 1b86 n LYS 687 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1b86 s TYR 688 N -1.23 2.80 0.00 2.13 1.51 -1.26 -4.68 117.35 116.62 1b86 s TYR 688 Ca 0.27 1.53 0.00 0.00 -1.01 0.00 0.00 57.07 57.85 1b86 s TYR 688 Cb 0.15 -3.40 0.00 0.00 -0.11 0.00 0.00 41.96 38.61 1b86 s TYR 688 CO 0.16 -1.62 0.00 -2.39 -1.11 0.00 0.00 175.55 170.58